2,2-dimethyl-3-oxidanyl-4-[pyridin-3-ylmethyl(pyrimidin-2-yl)amino]-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 2,2-dimethyl-3-oxidanyl-4-[pyridin-3-ylmethyl(pyrimidin-2-yl)amino]-3,4-dihydrochromene-6-carbonitrile Openeye Name: 3-hydroxy-2,2-dimethyl-4-[3-pyridylmethyl(pyrimidin-2-yl)amino]chromane-6-carbonitrile CAS Name: 3-hydroxy-2,2-dimethyl-4-[3-pyridinylmethyl(2-pyrimidinyl)amino]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-hydroxy-2,2-dimethyl-4-[pyridin-3-ylmethyl(pyrimidin-2-yl)amino]-3,4-dihydrochromene-6-carbonitrile Traditional Name: 3-hydroxy-2,2-dimethyl-4-[3-pyridylmethyl(2-pyrimidyl)amino]chroman-6-carbonitrile Formula: C22H21N5O2 MolecularWeight: 387.43444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(CC3=CN=CC=C3)C4=NC=CC=N4)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(CC3=CN=CC=C3)C4=NC=CC=N4)O)C

InChI

InChI=1S/C22H21N5O2/c1-22(2)20(28)19(17-11-15(12-23)6-7-18(17)29-22)27(21-25-9-4-10-26-21)14-16-5-3-8-24-13-16/h3-11,13,19-20,28H,14H2,1-2H3